SCHEMBL7930484

SCHEMBL7930484

CCCc1cc(C#N)cc(CCC)c1[NH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HRH4 Q9H3N8 2/20 0.35
TTR P02766 2/20 0.34
ALB P02768 2/20 0.34
CYP2A6 P11509 1/20 0.34
CTSK P43235 5/20 0.33
CTSS P25774 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7927093 0.88 TSHR (0.39) MEN1KMT2ATTRALBCYP2A6
SCHEMBL7928478 0.83 CYP2A6 (0.41) MEN1KMT2ATTRALBCYP2A6
SCHEMBL24017194 0.81 MEN1 (0.37) MEN1KMT2AHRH4TTRALB
SCHEMBL7930485 0.79 HRH4 (0.40) MEN1KMT2AHRH4TTRALB
SCHEMBL14291553 0.72 CYP2A6 (0.45) MEN1KMT2AHRH4CYP2A6CTSK
SCHEMBL10366101 0.72 MEN1 (0.44) MEN1KMT2AHRH4CYP2A6CTSK
SCHEMBL12663273 0.72 CYP2A6 (0.45) MEN1KMT2AHRH4CYP2A6CTSK
SCHEMBL18179299 0.72 MEN1 (0.44) MEN1KMT2AHRH4CYP2A6CTSK
SCHEMBL3678133 0.72 GABRA1 (0.42) MEN1KMT2AHRH4TTRALB
SCHEMBL18176648 0.72 MEN1 (0.41) MEN1KMT2AHRH4CYP2A6CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed